2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[[4-azanyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-amine Traditional Name: [3-[(4-aminoquinazolin-2-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C12H10F3N7S MolecularWeight: 341.31491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(N3N)C(F)(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NN=C(N3N)C(F)(F)F)N

InChI

InChI=1S/C12H10F3N7S/c13-12(14,15)10-20-21-11(22(10)17)23-5-8-18-7-4-2-1-3-6(7)9(16)19-8/h1-4H,5,17H2,(H2,16,18,19)